From mailer@bialko.llnl.gov Wed Aug 7 08:57:19 2002 Date: Wed, 7 Aug 2002 08:57:13 -0700 (PDT) From: Automatic Reply To: karplus@soe.ucsc.edu X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBPass: No Freemail Filtering X-SBClass: Admin # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Wed Aug 7 08:29:24 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_418097_19561 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0165SS389_1 Current information on models submitted in prediction T0165SS389 MODEL_INDEX PIN CODE DATE E-mail T0165SS389_1 PIN_418097_19561 1549-8716-6404 08/07/02 08:29:24 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0165 MODEL_INDEX PIN CODE DATE E-mail T0165SS389_1 PIN_418097_19561 1549-8716-6404 08/07/02 08:29:24 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format SS PFRMAT SS TARGET T0165 AUTHOR 1549-8716-6404 # Reading MODEL 1 # Reading prediction format SS (DONE) # Checking the SS prediction MODEL 1 # Checking the SS prediction MODEL 1 (DONE) # MODEL index: 1 # Total number of residues in model: 318 # Number of residues with nonzero confidence: 318 # Number of METHOD records: 65 # No errors. ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT SS TARGET T0165 AUTHOR 1549-8716-6404 METHOD CAFASP METHOD samt02_dssp_ehl METHOD This file is the result of combining several RDB files, specifically METHOD T0165.t2k.dssp-ebghstl.rdb (weight 1.53986) METHOD T0165.t2k.stride-ebghtl.rdb (weight 1.24869) METHOD T0165.t2k.str.rdb (weight 1.53983) METHOD These files were combined by translating their predictions into EHL METHOD predictions with tables generated by compare-real, and then combining METHOD those predictions with weights proportional to their mutual information METHOD with the EHL alphabet. The comments from the individual files follow. METHOD METHOD Comments from T0165.t2k.dssp-ebghstl.rdb METHOD ============================================ METHOD TARGET T0165 METHOD Using neural net t2k-5740-IDaaHr-5-15-7-15-9-15-13-ebghstl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 7 (1 EBGHSTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0165.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 175 METHOD METHOD ============================================ METHOD Comments from T0165.t2k.stride-ebghtl.rdb METHOD ============================================ METHOD TARGET T0165 METHOD Using neural net t2k-5651-IDaaHr-5-15-7-15-9-15-13-ebghtl-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 6 (1 EBGHTL ) METHOD The input amino acid frequencies were determined from METHOD alignment T0165.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 175 METHOD METHOD ============================================ METHOD Comments from T0165.t2k.str.rdb METHOD ============================================ METHOD TARGET T0165 METHOD Using neural net t2k-5651-IDaaHr-5-15-7-15-9-15-13-str-seeded.net METHOD This is a 4-layer network, with METHOD window units METHOD 5 15 METHOD 7 15 METHOD 9 15 METHOD 13 13 (1 str ) METHOD The input amino acid frequencies were determined from METHOD alignment T0165.t2k-thin90.a2m.gz METHOD with weighted counts, using HenikoffWeight(-1 bits/column, 1) METHOD Counts were regularized to probabilities using METHOD /projects/compbio/lib/recode3.20comp METHOD Total sequence weight for alignment was 175 METHOD METHOD ============================================ MODEL 1 M C 0.97 Q C 0.85 L C 0.76 F C 0.76 D C 0.83 L C 0.85 P C 0.85 L H 0.77 D H 0.86 Q H 0.88 L H 0.85 Q H 0.79 T H 0.73 Y H 0.59 K C 0.52 P C 0.80 E C 0.89 K C 0.91 T C 0.91 A C 0.92 P C 0.86 K C 0.70 D C 0.59 F H 0.62 S H 0.67 E H 0.71 F H 0.69 W H 0.68 K H 0.63 L H 0.57 S H 0.60 L H 0.83 E H 0.86 E H 0.85 L H 0.82 A H 0.77 K H 0.69 V H 0.55 Q C 0.51 A C 0.49 E C 0.46 P H 0.43 D C 0.41 L C 0.48 Q C 0.59 P C 0.67 V C 0.73 D C 0.82 Y C 0.85 P C 0.85 A C 0.83 D C 0.83 G C 0.76 V C 0.68 K C 0.55 V E 0.59 Y E 0.84 R E 0.94 L E 0.95 T E 0.96 Y E 0.93 K E 0.86 S C 0.62 F C 0.91 G C 0.96 N C 0.92 A C 0.55 R E 0.87 I E 0.92 T E 0.93 G E 0.97 W E 0.97 Y E 0.96 A E 0.92 V E 0.73 P C 0.66 D C 0.89 K C 0.92 E C 0.93 G C 0.92 P C 0.89 H C 0.85 P C 0.66 A E 0.95 I E 0.98 V E 0.98 K E 0.98 Y E 0.88 H C 0.51 G C 0.84 Y C 0.88 N C 0.83 A C 0.81 S C 0.82 Y C 0.76 D C 0.70 G C 0.62 E H 0.55 I H 0.72 H H 0.88 E H 0.94 M H 0.97 V H 0.97 N H 0.97 W H 0.97 A H 0.96 L H 0.89 H C 0.66 G C 0.98 Y C 0.82 A E 0.88 T E 0.97 F E 0.98 G E 0.96 M E 0.82 L C 0.68 V C 0.86 R C 0.86 G C 0.85 Q C 0.86 Q C 0.82 S C 0.84 S C 0.82 E C 0.79 D C 0.75 T C 0.64 S C 0.50 I C 0.50 S C 0.54 P C 0.60 H C 0.65 G C 0.59 H C 0.53 A H 0.48 L H 0.61 G H 0.64 W H 0.65 M H 0.67 T H 0.63 K H 0.54 G C 0.55 I C 0.64 L C 0.69 D C 0.82 K C 0.71 D C 0.73 T C 0.61 Y C 0.52 Y C 0.49 Y C 0.46 R H 0.56 G H 0.63 V H 0.81 Y H 0.94 L H 0.96 D H 0.96 A H 0.98 V H 0.98 R H 0.98 A H 0.97 L H 0.98 E H 0.97 V H 0.96 I H 0.95 S H 0.88 S H 0.67 F C 0.65 D C 0.84 E C 0.82 V C 0.85 D C 0.91 E C 0.59 T C 0.67 R C 0.53 I E 0.73 G E 0.90 V E 0.96 T E 0.88 G E 0.52 G C 0.62 S C 0.61 Q H 0.81 G H 0.94 G H 0.97 G H 0.98 L H 0.98 T H 0.98 I H 0.97 A H 0.96 A H 0.93 A H 0.81 A H 0.57 L C 0.80 S C 0.82 D C 0.74 I C 0.53 P E 0.54 K E 0.76 A E 0.89 A E 0.91 V E 0.91 A E 0.81 D E 0.62 Y C 0.62 P C 0.70 Y C 0.67 L C 0.69 S C 0.70 N C 0.49 F H 0.54 E H 0.57 R H 0.55 A H 0.52 I C 0.47 D C 0.56 V C 0.59 A C 0.57 L H 0.55 E H 0.61 Q H 0.62 P H 0.63 Y H 0.67 L H 0.65 E H 0.64 I H 0.67 N H 0.68 S H 0.66 F H 0.58 F C 0.46 R C 0.62 R C 0.61 N C 0.64 G C 0.61 S C 0.61 P C 0.64 E C 0.64 T C 0.66 E H 0.60 V H 0.79 Q H 0.81 A H 0.83 M H 0.87 K H 0.88 T H 0.86 L H 0.81 S H 0.71 Y H 0.53 F C 0.71 D C 0.89 I H 0.79 M H 0.86 N H 0.84 L H 0.79 A H 0.73 D H 0.54 R C 0.59 V C 0.85 K C 0.92 V C 0.92 P C 0.81 V E 0.91 L E 0.97 M E 0.97 S E 0.94 I E 0.66 G C 0.74 L C 0.82 I C 0.82 D C 0.88 K C 0.85 V C 0.81 T C 0.86 P C 0.91 P H 0.81 S H 0.86 T H 0.91 V H 0.95 F H 0.97 A H 0.97 A H 0.97 Y H 0.97 N H 0.96 H H 0.95 L H 0.93 E H 0.85 T H 0.67 K C 0.77 K C 0.97 E C 0.83 L E 0.69 K E 0.88 V E 0.91 Y E 0.81 R E 0.66 Y C 0.57 F C 0.77 G C 0.84 H C 0.83 E C 0.78 Y C 0.74 I C 0.73 P C 0.76 A C 0.75 F C 0.77 Q C 0.65 T C 0.62 E C 0.58 K C 0.59 L H 0.83 A H 0.93 F H 0.94 F H 0.94 K H 0.93 Q H 0.88 H H 0.77 L H 0.52 K C 0.68 G C 0.98 END END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 13 07:28:08 2002 Return-Path: Received: from bialko.llnl.gov (bialko.llnl.gov [134.9.175.2]) by services.cse.ucsc.edu (8.12.1/8.12.1) with ESMTP id g7DES8EA026649 for ; Tue, 13 Aug 2002 07:28:08 -0700 (PDT) Received: (from mailer@localhost) by bialko.llnl.gov (8.9.3/LLNL-4.0) id HAA860215 for karplus@soe.ucsc.edu; Tue, 13 Aug 2002 07:28:03 -0700 (PDT) Date: Tue, 13 Aug 2002 07:28:03 -0700 (PDT) From: Automatic Reply Message-Id: <200208131428.HAA860215@bialko.llnl.gov> To: karplus@soe.ucsc.edu Subject: T0165 TS samt02.pdb 2 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBRule: Turkish ISO 8859-3/8859-9 X-SBPass: No Freemail Filtering X-SBClass: Blocked # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Aug 13 07:00:02 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_134312_21417 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0165TS189_2 Current information on models submitted in prediction T0165TS189 MODEL_INDEX PIN CODE DATE E-mail T0165TS189_2 PIN_134312_21417 5035-2079-5263 08/13/02 07:00:02 casp5@bialko.llnl.gov T0165TS189_1 PIN_731726_21416 5035-2079-5263 08/13/02 06:59:44 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0165 MODEL_INDEX PIN CODE DATE E-mail T0165TS189_1 PIN_731726_21416 5035-2079-5263 08/13/02 06:59:44 casp5@bialko.llnl.gov T0165TS189_2 PIN_134312_21417 5035-2079-5263 08/13/02 07:00:02 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0165 AUTHOR 5035-2079-5263 # Reading MODEL 2 PARENT 1JFR_A # Loading PARENT structure: 1jfr (chain: A) # Number of residues in PARENT structure: 260 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 2 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue R 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue T 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue W 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue P 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue K 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue P 81 # IMPORTANT NOTE! Not complete main chain atoms for residue H 82 # IMPORTANT NOTE! Not complete main chain atoms for residue P 83 # IMPORTANT NOTE! Not complete main chain atoms for residue A 84 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 88 # IMPORTANT NOTE! Not complete main chain atoms for residue H 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue A 93 # IMPORTANT NOTE! Not complete main chain atoms for residue S 94 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 95 # IMPORTANT NOTE! Not complete main chain atoms for residue D 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue H 100 # IMPORTANT NOTE! Not complete main chain atoms for residue E 101 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue V 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue W 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue H 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue F 113 # IMPORTANT NOTE! Not complete main chain atoms for residue G 114 # IMPORTANT NOTE! Not complete main chain atoms for residue M 115 # IMPORTANT NOTE! Not complete main chain atoms for residue L 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue R 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 120 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue R 151 # IMPORTANT NOTE! Not complete main chain atoms for residue G 152 # IMPORTANT NOTE! Not complete main chain atoms for residue V 153 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 154 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue D 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue R 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue V 163 # IMPORTANT NOTE! Not complete main chain atoms for residue I 164 # IMPORTANT NOTE! Not complete main chain atoms for residue S 165 # IMPORTANT NOTE! Not complete main chain atoms for residue S 166 # IMPORTANT NOTE! Not complete main chain atoms for residue F 167 # IMPORTANT NOTE! Not complete main chain atoms for residue D 168 # IMPORTANT NOTE! Not complete main chain atoms for residue E 169 # IMPORTANT NOTE! Not complete main chain atoms for residue V 170 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # IMPORTANT NOTE! Not complete main chain atoms for residue T 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue I 175 # IMPORTANT NOTE! Not complete main chain atoms for residue G 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue T 178 # IMPORTANT NOTE! Not complete main chain atoms for residue G 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue I 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # IMPORTANT NOTE! Not complete main chain atoms for residue A 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue S 194 # IMPORTANT NOTE! Not complete main chain atoms for residue D 195 # IMPORTANT NOTE! Not complete main chain atoms for residue I 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue A 199 # IMPORTANT NOTE! Not complete main chain atoms for residue A 200 # IMPORTANT NOTE! Not complete main chain atoms for residue V 201 # IMPORTANT NOTE! Not complete main chain atoms for residue A 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 204 # IMPORTANT NOTE! Not complete main chain atoms for residue P 205 # IMPORTANT NOTE! Not complete main chain atoms for residue F 248 # IMPORTANT NOTE! Not complete main chain atoms for residue D 249 # IMPORTANT NOTE! Not complete main chain atoms for residue I 250 # IMPORTANT NOTE! Not complete main chain atoms for residue M 251 # IMPORTANT NOTE! Not complete main chain atoms for residue N 252 # IMPORTANT NOTE! Not complete main chain atoms for residue L 253 # IMPORTANT NOTE! Not complete main chain atoms for residue A 254 # IMPORTANT NOTE! Not complete main chain atoms for residue D 255 # IMPORTANT NOTE! Not complete main chain atoms for residue R 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue V 259 # IMPORTANT NOTE! Not complete main chain atoms for residue P 260 # IMPORTANT NOTE! Not complete main chain atoms for residue V 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue M 263 # IMPORTANT NOTE! Not complete main chain atoms for residue S 264 # IMPORTANT NOTE! Not complete main chain atoms for residue I 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue L 267 # IMPORTANT NOTE! Not complete main chain atoms for residue I 268 # IMPORTANT NOTE! Not complete main chain atoms for residue D 269 # IMPORTANT NOTE! Not complete main chain atoms for residue K 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue T 272 # IMPORTANT NOTE! Not complete main chain atoms for residue P 273 # IMPORTANT NOTE! Not complete main chain atoms for residue P 274 # IMPORTANT NOTE! Not complete main chain atoms for residue S 275 # IMPORTANT NOTE! Not complete main chain atoms for residue T 276 # IMPORTANT NOTE! Not complete main chain atoms for residue V 277 # IMPORTANT NOTE! Not complete main chain atoms for residue F 278 # IMPORTANT NOTE! Not complete main chain atoms for residue A 279 # IMPORTANT NOTE! Not complete main chain atoms for residue A 280 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 281 # IMPORTANT NOTE! Not complete main chain atoms for residue N 282 # IMPORTANT NOTE! Not complete main chain atoms for residue H 283 # IMPORTANT NOTE! Not complete main chain atoms for residue L 284 # IMPORTANT NOTE! Not complete main chain atoms for residue E 285 # IMPORTANT NOTE! Not complete main chain atoms for residue T 286 # IMPORTANT NOTE! Not complete main chain atoms for residue K 287 # IMPORTANT NOTE! Not complete main chain atoms for residue K 288 # IMPORTANT NOTE! Not complete main chain atoms for residue E 289 # IMPORTANT NOTE! Not complete main chain atoms for residue L 290 # IMPORTANT NOTE! Not complete main chain atoms for residue K 291 # IMPORTANT NOTE! Not complete main chain atoms for residue V 292 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 293 # IMPORTANT NOTE! Not complete main chain atoms for residue R 294 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 295 # IMPORTANT NOTE! Not complete main chain atoms for residue F 296 # IMPORTANT NOTE! Not complete main chain atoms for residue G 297 # IMPORTANT NOTE! Not complete main chain atoms for residue H 298 # IMPORTANT NOTE! Not complete main chain atoms for residue E 299 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 300 # IMPORTANT NOTE! Not complete main chain atoms for residue I 301 # IMPORTANT NOTE! Not complete main chain atoms for residue P 302 # IMPORTANT NOTE! Not complete main chain atoms for residue A 303 # IMPORTANT NOTE! Not complete main chain atoms for residue F 304 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 305 # IMPORTANT NOTE! Not complete main chain atoms for residue T 306 # IMPORTANT NOTE! Not complete main chain atoms for residue E 307 # IMPORTANT NOTE! Not complete main chain atoms for residue K 308 # IMPORTANT NOTE! Not complete main chain atoms for residue L 309 # IMPORTANT NOTE! Not complete main chain atoms for residue A 310 # IMPORTANT NOTE! Not complete main chain atoms for residue F 311 # IMPORTANT NOTE! Not complete main chain atoms for residue F 312 # IMPORTANT NOTE! Not complete main chain atoms for residue K 313 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 314 # IMPORTANT NOTE! Not complete main chain atoms for residue H 315 # Checking the TS prediction MODEL 2 (DONE) # MODEL index: 2 # Target name: T0165 # Total number of residues in target: 318 # Total number of residues in model: 181 # Total number of atoms in model: 181 # Number of atoms with 1.0 occupancy: 181 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 181 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0165 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 2 PARENT 1JFR_A ATOM 37 CA ALA 67 45.375 4.334 -3.459 1.00 1.00 ATOM 38 CA ARG 68 43.737 0.978 -2.615 1.00 1.00 ATOM 39 CA ILE 69 44.042 -2.693 -3.621 1.00 1.00 ATOM 40 CA THR 70 41.212 -2.984 -6.179 1.00 1.00 ATOM 41 CA GLY 71 37.775 -4.556 -5.528 1.00 1.00 ATOM 42 CA TRP 72 34.361 -5.560 -6.847 1.00 1.00 ATOM 43 CA TYR 73 31.467 -3.238 -7.568 1.00 1.00 ATOM 44 CA ALA 74 27.904 -4.556 -7.149 1.00 1.00 ATOM 45 CA VAL 75 25.118 -2.399 -8.615 1.00 1.00 ATOM 46 CA PRO 76 21.465 -2.483 -9.661 1.00 1.00 ATOM 49 CA ASP 77 18.945 2.718 -14.606 1.00 1.00 ATOM 50 CA LYS 78 15.246 3.538 -14.961 1.00 1.00 ATOM 51 CA GLU 79 14.722 4.681 -11.360 1.00 1.00 ATOM 52 CA GLY 80 17.661 7.144 -11.318 1.00 1.00 ATOM 53 CA PRO 81 21.040 7.107 -9.577 1.00 1.00 ATOM 54 CA HIS 82 21.832 5.443 -6.247 1.00 1.00 ATOM 55 CA PRO 83 23.900 6.195 -3.157 1.00 1.00 ATOM 56 CA ALA 84 27.138 4.217 -2.746 1.00 1.00 ATOM 57 CA ILE 85 28.818 2.337 0.080 1.00 1.00 ATOM 58 CA VAL 86 32.445 1.121 0.238 1.00 1.00 ATOM 59 CA LYS 87 33.354 -1.796 2.490 1.00 1.00 ATOM 60 CA TYR 88 36.751 -2.737 3.905 1.00 1.00 ATOM 61 CA HIS 89 37.875 -6.104 5.283 1.00 1.00 ATOM 62 CA GLY 90 39.992 -6.486 8.444 1.00 1.00 ATOM 63 CA TYR 91 43.589 -7.360 9.354 1.00 1.00 ATOM 64 CA ASN 92 45.026 -10.198 7.217 1.00 1.00 ATOM 65 CA ALA 93 41.699 -10.448 5.337 1.00 1.00 ATOM 66 CA SER 94 40.602 -10.058 1.712 1.00 1.00 ATOM 67 CA TYR 95 37.342 -9.321 -0.139 1.00 1.00 ATOM 68 CA ASP 96 36.153 -12.905 0.373 1.00 1.00 ATOM 69 CA GLY 97 35.488 -12.055 4.054 1.00 1.00 ATOM 70 CA GLU 98 32.932 -9.341 3.185 1.00 1.00 ATOM 71 CA ILE 99 31.706 -10.452 -0.231 1.00 1.00 ATOM 72 CA HIS 100 28.260 -11.619 0.986 1.00 1.00 ATOM 73 CA GLU 101 27.321 -7.971 1.691 1.00 1.00 ATOM 74 CA MET 102 27.813 -7.038 -1.988 1.00 1.00 ATOM 75 CA VAL 103 24.740 -8.578 -3.601 1.00 1.00 ATOM 76 CA ASN 104 22.709 -8.449 -0.396 1.00 1.00 ATOM 77 CA TRP 105 22.945 -4.657 -0.036 1.00 1.00 ATOM 78 CA ALA 106 23.134 -3.795 -3.739 1.00 1.00 ATOM 79 CA LEU 107 19.790 -5.553 -4.451 1.00 1.00 ATOM 80 CA HIS 108 18.128 -3.085 -2.043 1.00 1.00 ATOM 81 CA GLY 109 19.168 -0.178 -4.314 1.00 1.00 ATOM 82 CA TYR 110 22.805 0.684 -3.545 1.00 1.00 ATOM 83 CA ALA 111 26.106 0.711 -5.470 1.00 1.00 ATOM 84 CA THR 112 28.389 -1.339 -3.197 1.00 1.00 ATOM 85 CA PHE 113 32.177 -1.571 -3.526 1.00 1.00 ATOM 86 CA GLY 114 33.969 -4.295 -1.583 1.00 1.00 ATOM 87 CA MET 115 37.681 -3.436 -1.620 1.00 1.00 ATOM 88 CA LEU 116 41.027 -5.076 -0.972 1.00 1.00 ATOM 89 CA VAL 117 43.563 -2.888 0.872 1.00 1.00 ATOM 90 CA ARG 118 47.114 -2.118 -0.309 1.00 1.00 ATOM 91 CA GLY 119 48.482 -4.772 2.041 1.00 1.00 ATOM 92 CA GLN 120 46.562 -7.001 4.491 1.00 1.00 ATOM 93 CA GLN 121 48.591 -5.558 7.388 1.00 1.00 ATOM 94 CA SER 122 47.446 -1.951 6.889 1.00 1.00 ATOM 95 CA SER 123 46.312 -0.184 10.077 1.00 1.00 ATOM 96 CA GLU 124 42.964 1.560 10.689 1.00 1.00 ATOM 97 CA ARG 151 44.125 5.065 9.700 1.00 1.00 ATOM 98 CA GLY 152 45.469 3.743 6.388 1.00 1.00 ATOM 99 CA VAL 153 42.254 1.771 5.843 1.00 1.00 ATOM 100 CA TYR 154 40.272 4.985 6.335 1.00 1.00 ATOM 101 CA LEU 155 42.301 6.723 3.621 1.00 1.00 ATOM 102 CA ASP 156 41.787 3.760 1.309 1.00 1.00 ATOM 103 CA ALA 157 38.012 3.855 1.809 1.00 1.00 ATOM 104 CA VAL 158 38.006 7.497 0.683 1.00 1.00 ATOM 105 CA ARG 159 40.296 6.762 -2.288 1.00 1.00 ATOM 106 CA ALA 160 37.941 3.958 -3.340 1.00 1.00 ATOM 107 CA LEU 161 34.953 6.326 -3.180 1.00 1.00 ATOM 108 CA GLU 162 36.943 8.832 -5.282 1.00 1.00 ATOM 109 CA VAL 163 37.703 6.134 -7.855 1.00 1.00 ATOM 110 CA ILE 164 34.092 4.891 -7.912 1.00 1.00 ATOM 111 CA SER 165 32.487 8.323 -8.373 1.00 1.00 ATOM 112 CA SER 166 35.057 9.993 -10.627 1.00 1.00 ATOM 113 CA PHE 167 36.665 7.249 -12.732 1.00 1.00 ATOM 118 CA ASP 168 27.036 7.586 -13.933 1.00 1.00 ATOM 119 CA GLU 169 24.855 5.259 -11.805 1.00 1.00 ATOM 120 CA VAL 170 26.094 6.838 -8.587 1.00 1.00 ATOM 121 CA ASP 171 24.991 10.015 -6.820 1.00 1.00 ATOM 122 CA GLU 172 28.358 11.288 -5.559 1.00 1.00 ATOM 123 CA THR 173 26.727 13.437 -2.835 1.00 1.00 ATOM 124 CA ARG 174 25.283 10.405 -0.979 1.00 1.00 ATOM 125 CA ILE 175 28.073 8.112 0.198 1.00 1.00 ATOM 126 CA GLY 176 28.695 5.775 3.116 1.00 1.00 ATOM 127 CA VAL 177 31.426 3.587 4.587 1.00 1.00 ATOM 128 CA THR 178 31.439 0.187 6.306 1.00 1.00 ATOM 129 CA GLY 179 34.125 -2.299 7.392 1.00 1.00 ATOM 130 CA GLY 180 34.893 -5.374 9.494 1.00 1.00 ATOM 131 CA SER 181 37.365 -5.307 12.397 1.00 1.00 ATOM 132 CA GLN 182 40.295 -2.981 11.552 1.00 1.00 ATOM 133 CA GLY 183 38.262 -2.012 8.437 1.00 1.00 ATOM 134 CA GLY 184 35.509 -0.959 10.861 1.00 1.00 ATOM 135 CA GLY 185 38.030 1.164 12.780 1.00 1.00 ATOM 136 CA LEU 186 38.948 2.551 9.313 1.00 1.00 ATOM 137 CA THR 187 35.305 3.519 8.670 1.00 1.00 ATOM 138 CA ILE 188 35.425 5.801 11.722 1.00 1.00 ATOM 139 CA ALA 189 38.726 7.311 10.531 1.00 1.00 ATOM 140 CA ALA 190 37.134 7.972 7.136 1.00 1.00 ATOM 141 CA ALA 191 34.107 9.689 8.735 1.00 1.00 ATOM 142 CA ALA 192 36.523 11.838 10.770 1.00 1.00 ATOM 143 CA LEU 193 38.248 13.072 7.570 1.00 1.00 ATOM 144 CA SER 194 35.109 13.449 5.483 1.00 1.00 ATOM 145 CA ASP 195 32.230 14.658 7.637 1.00 1.00 ATOM 146 CA ILE 196 29.849 14.835 4.629 1.00 1.00 ATOM 147 CA PRO 197 29.570 11.018 4.622 1.00 1.00 ATOM 148 CA LYS 198 25.914 10.063 5.179 1.00 1.00 ATOM 149 CA ALA 199 26.398 6.753 7.045 1.00 1.00 ATOM 150 CA ALA 200 29.125 4.779 8.816 1.00 1.00 ATOM 151 CA VAL 201 28.758 1.153 9.968 1.00 1.00 ATOM 152 CA ALA 202 31.684 -0.524 11.761 1.00 1.00 ATOM 153 CA ASP 203 31.157 -4.315 12.129 1.00 1.00 ATOM 154 CA TYR 204 32.946 -5.637 15.262 1.00 1.00 ATOM 155 CA PRO 205 35.308 -2.692 14.893 1.00 1.00 ATOM 156 CA PHE 248 38.905 -2.521 16.122 1.00 1.00 ATOM 157 CA ASP 249 40.856 0.698 16.716 1.00 1.00 ATOM 158 CA ILE 250 43.373 1.921 19.281 1.00 1.00 ATOM 159 CA MET 251 41.766 5.385 19.065 1.00 1.00 ATOM 160 CA ASN 252 38.678 5.056 21.247 1.00 1.00 ATOM 161 CA LEU 253 37.077 8.528 21.220 1.00 1.00 ATOM 162 CA ALA 254 35.201 10.080 18.262 1.00 1.00 ATOM 163 CA ASP 255 33.592 13.396 19.265 1.00 1.00 ATOM 164 CA ARG 256 34.279 14.927 15.833 1.00 1.00 ATOM 165 CA VAL 257 31.834 12.721 13.894 1.00 1.00 ATOM 166 CA LYS 258 28.803 14.209 12.159 1.00 1.00 ATOM 167 CA VAL 259 27.945 11.023 10.262 1.00 1.00 ATOM 168 CA PRO 260 25.057 8.882 11.549 1.00 1.00 ATOM 169 CA VAL 261 26.761 5.747 12.808 1.00 1.00 ATOM 170 CA LEU 262 25.492 2.258 13.605 1.00 1.00 ATOM 171 CA MET 263 28.048 0.402 15.793 1.00 1.00 ATOM 172 CA SER 264 27.726 -3.384 15.499 1.00 1.00 ATOM 173 CA ILE 265 29.361 -5.479 18.238 1.00 1.00 ATOM 174 CA GLY 266 29.383 -9.199 19.075 1.00 1.00 ATOM 175 CA LEU 267 28.812 -10.462 22.642 1.00 1.00 ATOM 176 CA ILE 268 31.459 -13.214 22.410 1.00 1.00 ATOM 177 CA ASP 269 34.113 -11.255 20.487 1.00 1.00 ATOM 178 CA LYS 270 37.525 -11.853 22.036 1.00 1.00 ATOM 179 CA VAL 271 39.460 -10.082 19.269 1.00 1.00 ATOM 180 CA THR 272 37.816 -6.672 19.513 1.00 1.00 ATOM 181 CA PRO 273 35.924 -6.951 22.812 1.00 1.00 ATOM 182 CA PRO 274 32.887 -4.658 22.947 1.00 1.00 ATOM 183 CA SER 275 34.004 -3.439 26.395 1.00 1.00 ATOM 185 CA THR 276 36.334 -1.136 21.330 1.00 1.00 ATOM 186 CA VAL 277 32.660 -0.973 20.235 1.00 1.00 ATOM 187 CA PHE 278 31.089 0.421 23.459 1.00 1.00 ATOM 188 CA ALA 279 33.732 3.119 23.957 1.00 1.00 ATOM 189 CA ALA 280 33.284 4.094 20.296 1.00 1.00 ATOM 190 CA TYR 281 29.507 4.375 20.736 1.00 1.00 ATOM 191 CA ASN 282 29.657 6.258 24.049 1.00 1.00 ATOM 192 CA HIS 283 32.162 8.830 22.752 1.00 1.00 ATOM 193 CA LEU 284 30.008 9.863 19.755 1.00 1.00 ATOM 194 CA GLU 285 28.222 13.216 20.173 1.00 1.00 ATOM 195 CA THR 286 24.991 12.983 22.145 1.00 1.00 ATOM 196 CA LYS 287 23.027 14.852 19.457 1.00 1.00 ATOM 197 CA LYS 288 24.165 12.519 16.648 1.00 1.00 ATOM 198 CA GLU 289 21.717 10.017 15.130 1.00 1.00 ATOM 201 CA LEU 290 24.645 0.326 19.090 1.00 1.00 ATOM 202 CA LYS 291 23.655 -3.219 18.114 1.00 1.00 ATOM 203 CA VAL 292 25.212 -6.067 20.094 1.00 1.00 ATOM 204 CA TYR 293 24.624 -9.483 18.529 1.00 1.00 ATOM 205 CA ARG 294 23.763 -12.381 20.833 1.00 1.00 ATOM 206 CA TYR 295 25.755 -15.619 20.587 1.00 1.00 ATOM 207 CA PHE 296 28.203 -14.156 18.078 1.00 1.00 ATOM 208 CA GLY 297 31.963 -13.925 17.678 1.00 1.00 ATOM 209 CA HIS 298 34.469 -11.708 15.882 1.00 1.00 ATOM 210 CA GLU 299 33.885 -13.743 12.682 1.00 1.00 ATOM 211 CA TYR 300 30.071 -13.636 12.632 1.00 1.00 ATOM 212 CA ILE 301 30.117 -10.683 10.181 1.00 1.00 ATOM 213 CA PRO 302 32.127 -12.730 7.617 1.00 1.00 ATOM 214 CA ALA 303 29.165 -15.032 6.863 1.00 1.00 ATOM 215 CA PHE 304 25.574 -14.136 5.903 1.00 1.00 ATOM 216 CA GLN 305 23.728 -12.849 8.971 1.00 1.00 ATOM 217 CA THR 306 20.086 -11.707 8.806 1.00 1.00 ATOM 218 CA GLU 307 20.382 -9.418 11.849 1.00 1.00 ATOM 219 CA LYS 308 23.429 -7.592 10.462 1.00 1.00 ATOM 220 CA LEU 309 21.722 -7.371 7.068 1.00 1.00 ATOM 221 CA ALA 310 18.329 -6.047 8.174 1.00 1.00 ATOM 222 CA PHE 311 19.728 -3.255 10.385 1.00 1.00 ATOM 223 CA PHE 312 22.464 -2.380 7.877 1.00 1.00 ATOM 224 CA LYS 313 19.881 -2.038 5.111 1.00 1.00 ATOM 225 CA GLN 314 17.575 0.058 7.300 1.00 1.00 ATOM 226 CA HIS 315 20.410 2.313 8.439 1.00 1.00 TER END ################################ # # # END # # # ################################ From mailer@bialko.llnl.gov Tue Aug 13 07:27:29 2002 Return-Path: Received: from bialko.llnl.gov (bialko.llnl.gov [134.9.175.2]) by services.cse.ucsc.edu (8.12.1/8.12.1) with ESMTP id g7DERSEA026610 for ; Tue, 13 Aug 2002 07:27:28 -0700 (PDT) Received: (from mailer@localhost) by bialko.llnl.gov (8.9.3/LLNL-4.0) id HAA859713 for karplus@soe.ucsc.edu; Tue, 13 Aug 2002 07:27:23 -0700 (PDT) Date: Tue, 13 Aug 2002 07:27:23 -0700 (PDT) From: Automatic Reply Message-Id: <200208131427.HAA859713@bialko.llnl.gov> To: karplus@soe.ucsc.edu Subject: T0165 TS samt02.pdb 1 X-SpamBouncer: 1.4 (10/07/01) X-SBNote: From Admin X-SBNote: FROM_DAEMON/Listserv X-SBRule: Turkish ISO 8859-3/8859-9 X-SBPass: No Freemail Filtering X-SBClass: Blocked # # Protein Structure Prediction Center, LLNL, Livermore, CA # Verification system Tue Aug 13 06:59:44 PDT 2002 by Adam Zemla # # The PIN number of your submission is: PIN_731726_21416 # (PIN number is not an ACCESSION CODE) # Thank you for your submission. Your prediction has been accepted with an ACCESSION CODE: T0165TS189_1 Current information on models submitted in prediction T0165TS189 MODEL_INDEX PIN CODE DATE E-mail T0165TS189_1 PIN_731726_21416 5035-2079-5263 08/13/02 06:59:44 casp5@bialko.llnl.gov PLEASE NOTE: Submission of a duplicate prediction (same target, format, model index) will REPLACE an existing submission (ACCESSION CODE), provided it is received before the target has expired. The current status of models accepted for target T0165 MODEL_INDEX PIN CODE DATE E-mail T0165TS189_1 PIN_731726_21416 5035-2079-5263 08/13/02 06:59:44 casp5@bialko.llnl.gov For more information on accepted models submitted to CASP5 see: http://PredictionCenter.llnl.gov/casp5/models/casp5-models.html Please check below if the verified data of your submission is correct. # Reading prediction format TS PFRMAT TS TARGET T0165 AUTHOR 5035-2079-5263 # Reading MODEL 1 PARENT 1A88_A # Loading PARENT structure: 1a88 (chain: A) # Number of residues in PARENT structure: 275 # Reading prediction format TS (DONE) # Checking the TS prediction MODEL 1 # IMPORTANT NOTE! Not complete main chain atoms for residue T 60 # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # It is requested that coordinate data be supplied for at least # # all non-hydrogen main chain atoms, i.e. the N, CA, C and O # # atoms of every residue. Specifically, if only CA atoms are # # predicted by the method, predictors are encouraged to build # # the main chain atoms for every residue before submission to # # CASP. If only CA atoms were submitted it would not be possible # # to run most of the analysis software, which would severely # # limit the evaluation of that prediction. # # !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! # # IMPORTANT NOTE! Not complete main chain atoms for residue Y 61 # IMPORTANT NOTE! Not complete main chain atoms for residue K 62 # IMPORTANT NOTE! Not complete main chain atoms for residue S 63 # IMPORTANT NOTE! Not complete main chain atoms for residue F 64 # IMPORTANT NOTE! Not complete main chain atoms for residue G 65 # IMPORTANT NOTE! Not complete main chain atoms for residue N 66 # IMPORTANT NOTE! Not complete main chain atoms for residue A 67 # IMPORTANT NOTE! Not complete main chain atoms for residue R 68 # IMPORTANT NOTE! Not complete main chain atoms for residue I 69 # IMPORTANT NOTE! Not complete main chain atoms for residue T 70 # IMPORTANT NOTE! Not complete main chain atoms for residue G 71 # IMPORTANT NOTE! Not complete main chain atoms for residue W 72 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 73 # IMPORTANT NOTE! Not complete main chain atoms for residue A 74 # IMPORTANT NOTE! Not complete main chain atoms for residue V 75 # IMPORTANT NOTE! Not complete main chain atoms for residue P 76 # IMPORTANT NOTE! Not complete main chain atoms for residue D 77 # IMPORTANT NOTE! Not complete main chain atoms for residue K 78 # IMPORTANT NOTE! Not complete main chain atoms for residue E 79 # IMPORTANT NOTE! Not complete main chain atoms for residue G 80 # IMPORTANT NOTE! Not complete main chain atoms for residue P 81 # IMPORTANT NOTE! Not complete main chain atoms for residue I 85 # IMPORTANT NOTE! Not complete main chain atoms for residue V 86 # IMPORTANT NOTE! Not complete main chain atoms for residue K 87 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 88 # IMPORTANT NOTE! Not complete main chain atoms for residue H 89 # IMPORTANT NOTE! Not complete main chain atoms for residue G 90 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 91 # IMPORTANT NOTE! Not complete main chain atoms for residue N 92 # IMPORTANT NOTE! Not complete main chain atoms for residue A 93 # IMPORTANT NOTE! Not complete main chain atoms for residue S 94 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 95 # IMPORTANT NOTE! Not complete main chain atoms for residue D 96 # IMPORTANT NOTE! Not complete main chain atoms for residue G 97 # IMPORTANT NOTE! Not complete main chain atoms for residue E 98 # IMPORTANT NOTE! Not complete main chain atoms for residue I 99 # IMPORTANT NOTE! Not complete main chain atoms for residue H 100 # IMPORTANT NOTE! Not complete main chain atoms for residue E 101 # IMPORTANT NOTE! Not complete main chain atoms for residue M 102 # IMPORTANT NOTE! Not complete main chain atoms for residue V 103 # IMPORTANT NOTE! Not complete main chain atoms for residue N 104 # IMPORTANT NOTE! Not complete main chain atoms for residue W 105 # IMPORTANT NOTE! Not complete main chain atoms for residue A 106 # IMPORTANT NOTE! Not complete main chain atoms for residue L 107 # IMPORTANT NOTE! Not complete main chain atoms for residue H 108 # IMPORTANT NOTE! Not complete main chain atoms for residue G 109 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 110 # IMPORTANT NOTE! Not complete main chain atoms for residue A 111 # IMPORTANT NOTE! Not complete main chain atoms for residue T 112 # IMPORTANT NOTE! Not complete main chain atoms for residue F 113 # IMPORTANT NOTE! Not complete main chain atoms for residue G 114 # IMPORTANT NOTE! Not complete main chain atoms for residue M 115 # IMPORTANT NOTE! Not complete main chain atoms for residue L 116 # IMPORTANT NOTE! Not complete main chain atoms for residue V 117 # IMPORTANT NOTE! Not complete main chain atoms for residue R 118 # IMPORTANT NOTE! Not complete main chain atoms for residue G 119 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 120 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 121 # IMPORTANT NOTE! Not complete main chain atoms for residue S 122 # IMPORTANT NOTE! Not complete main chain atoms for residue S 123 # IMPORTANT NOTE! Not complete main chain atoms for residue E 124 # IMPORTANT NOTE! Not complete main chain atoms for residue D 125 # IMPORTANT NOTE! Not complete main chain atoms for residue T 126 # IMPORTANT NOTE! Not complete main chain atoms for residue S 127 # IMPORTANT NOTE! Not complete main chain atoms for residue I 128 # IMPORTANT NOTE! Not complete main chain atoms for residue S 129 # IMPORTANT NOTE! Not complete main chain atoms for residue P 130 # IMPORTANT NOTE! Not complete main chain atoms for residue H 131 # IMPORTANT NOTE! Not complete main chain atoms for residue G 132 # IMPORTANT NOTE! Not complete main chain atoms for residue H 133 # IMPORTANT NOTE! Not complete main chain atoms for residue A 134 # IMPORTANT NOTE! Not complete main chain atoms for residue L 135 # IMPORTANT NOTE! Not complete main chain atoms for residue G 136 # IMPORTANT NOTE! Not complete main chain atoms for residue L 155 # IMPORTANT NOTE! Not complete main chain atoms for residue D 156 # IMPORTANT NOTE! Not complete main chain atoms for residue A 157 # IMPORTANT NOTE! Not complete main chain atoms for residue V 158 # IMPORTANT NOTE! Not complete main chain atoms for residue R 159 # IMPORTANT NOTE! Not complete main chain atoms for residue A 160 # IMPORTANT NOTE! Not complete main chain atoms for residue L 161 # IMPORTANT NOTE! Not complete main chain atoms for residue E 162 # IMPORTANT NOTE! Not complete main chain atoms for residue V 163 # IMPORTANT NOTE! Not complete main chain atoms for residue I 164 # IMPORTANT NOTE! Not complete main chain atoms for residue D 171 # IMPORTANT NOTE! Not complete main chain atoms for residue E 172 # IMPORTANT NOTE! Not complete main chain atoms for residue T 173 # IMPORTANT NOTE! Not complete main chain atoms for residue R 174 # IMPORTANT NOTE! Not complete main chain atoms for residue I 175 # IMPORTANT NOTE! Not complete main chain atoms for residue G 176 # IMPORTANT NOTE! Not complete main chain atoms for residue V 177 # IMPORTANT NOTE! Not complete main chain atoms for residue T 178 # IMPORTANT NOTE! Not complete main chain atoms for residue G 179 # IMPORTANT NOTE! Not complete main chain atoms for residue G 180 # IMPORTANT NOTE! Not complete main chain atoms for residue S 181 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 182 # IMPORTANT NOTE! Not complete main chain atoms for residue G 183 # IMPORTANT NOTE! Not complete main chain atoms for residue G 184 # IMPORTANT NOTE! Not complete main chain atoms for residue G 185 # IMPORTANT NOTE! Not complete main chain atoms for residue L 186 # IMPORTANT NOTE! Not complete main chain atoms for residue T 187 # IMPORTANT NOTE! Not complete main chain atoms for residue I 188 # IMPORTANT NOTE! Not complete main chain atoms for residue A 189 # IMPORTANT NOTE! Not complete main chain atoms for residue A 190 # IMPORTANT NOTE! Not complete main chain atoms for residue A 191 # IMPORTANT NOTE! Not complete main chain atoms for residue A 192 # IMPORTANT NOTE! Not complete main chain atoms for residue L 193 # IMPORTANT NOTE! Not complete main chain atoms for residue S 194 # IMPORTANT NOTE! Not complete main chain atoms for residue D 195 # IMPORTANT NOTE! Not complete main chain atoms for residue I 196 # IMPORTANT NOTE! Not complete main chain atoms for residue P 197 # IMPORTANT NOTE! Not complete main chain atoms for residue K 198 # IMPORTANT NOTE! Not complete main chain atoms for residue A 199 # IMPORTANT NOTE! Not complete main chain atoms for residue A 200 # IMPORTANT NOTE! Not complete main chain atoms for residue V 201 # IMPORTANT NOTE! Not complete main chain atoms for residue A 202 # IMPORTANT NOTE! Not complete main chain atoms for residue D 203 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 204 # IMPORTANT NOTE! Not complete main chain atoms for residue P 205 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 206 # IMPORTANT NOTE! Not complete main chain atoms for residue L 207 # IMPORTANT NOTE! Not complete main chain atoms for residue S 208 # IMPORTANT NOTE! Not complete main chain atoms for residue N 209 # IMPORTANT NOTE! Not complete main chain atoms for residue E 211 # IMPORTANT NOTE! Not complete main chain atoms for residue R 212 # IMPORTANT NOTE! Not complete main chain atoms for residue A 213 # IMPORTANT NOTE! Not complete main chain atoms for residue I 214 # IMPORTANT NOTE! Not complete main chain atoms for residue D 215 # IMPORTANT NOTE! Not complete main chain atoms for residue V 216 # IMPORTANT NOTE! Not complete main chain atoms for residue A 217 # IMPORTANT NOTE! Not complete main chain atoms for residue L 218 # IMPORTANT NOTE! Not complete main chain atoms for residue E 219 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 220 # IMPORTANT NOTE! Not complete main chain atoms for residue P 221 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 222 # IMPORTANT NOTE! Not complete main chain atoms for residue L 223 # IMPORTANT NOTE! Not complete main chain atoms for residue E 224 # IMPORTANT NOTE! Not complete main chain atoms for residue I 225 # IMPORTANT NOTE! Not complete main chain atoms for residue N 226 # IMPORTANT NOTE! Not complete main chain atoms for residue S 227 # IMPORTANT NOTE! Not complete main chain atoms for residue F 228 # IMPORTANT NOTE! Not complete main chain atoms for residue F 229 # IMPORTANT NOTE! Not complete main chain atoms for residue R 230 # IMPORTANT NOTE! Not complete main chain atoms for residue R 231 # IMPORTANT NOTE! Not complete main chain atoms for residue N 232 # IMPORTANT NOTE! Not complete main chain atoms for residue G 233 # IMPORTANT NOTE! Not complete main chain atoms for residue S 234 # IMPORTANT NOTE! Not complete main chain atoms for residue P 235 # IMPORTANT NOTE! Not complete main chain atoms for residue E 236 # IMPORTANT NOTE! Not complete main chain atoms for residue T 237 # IMPORTANT NOTE! Not complete main chain atoms for residue E 238 # IMPORTANT NOTE! Not complete main chain atoms for residue V 239 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 240 # IMPORTANT NOTE! Not complete main chain atoms for residue A 241 # IMPORTANT NOTE! Not complete main chain atoms for residue M 242 # IMPORTANT NOTE! Not complete main chain atoms for residue K 243 # IMPORTANT NOTE! Not complete main chain atoms for residue T 244 # IMPORTANT NOTE! Not complete main chain atoms for residue L 245 # IMPORTANT NOTE! Not complete main chain atoms for residue S 246 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 247 # IMPORTANT NOTE! Not complete main chain atoms for residue F 248 # IMPORTANT NOTE! Not complete main chain atoms for residue D 249 # IMPORTANT NOTE! Not complete main chain atoms for residue I 250 # IMPORTANT NOTE! Not complete main chain atoms for residue M 251 # IMPORTANT NOTE! Not complete main chain atoms for residue N 252 # IMPORTANT NOTE! Not complete main chain atoms for residue L 253 # IMPORTANT NOTE! Not complete main chain atoms for residue A 254 # IMPORTANT NOTE! Not complete main chain atoms for residue D 255 # IMPORTANT NOTE! Not complete main chain atoms for residue R 256 # IMPORTANT NOTE! Not complete main chain atoms for residue V 257 # IMPORTANT NOTE! Not complete main chain atoms for residue K 258 # IMPORTANT NOTE! Not complete main chain atoms for residue V 259 # IMPORTANT NOTE! Not complete main chain atoms for residue P 260 # IMPORTANT NOTE! Not complete main chain atoms for residue V 261 # IMPORTANT NOTE! Not complete main chain atoms for residue L 262 # IMPORTANT NOTE! Not complete main chain atoms for residue M 263 # IMPORTANT NOTE! Not complete main chain atoms for residue S 264 # IMPORTANT NOTE! Not complete main chain atoms for residue I 265 # IMPORTANT NOTE! Not complete main chain atoms for residue G 266 # IMPORTANT NOTE! Not complete main chain atoms for residue L 267 # IMPORTANT NOTE! Not complete main chain atoms for residue I 268 # IMPORTANT NOTE! Not complete main chain atoms for residue D 269 # IMPORTANT NOTE! Not complete main chain atoms for residue K 270 # IMPORTANT NOTE! Not complete main chain atoms for residue V 271 # IMPORTANT NOTE! Not complete main chain atoms for residue T 272 # IMPORTANT NOTE! Not complete main chain atoms for residue P 273 # IMPORTANT NOTE! Not complete main chain atoms for residue P 274 # IMPORTANT NOTE! Not complete main chain atoms for residue S 275 # IMPORTANT NOTE! Not complete main chain atoms for residue T 276 # IMPORTANT NOTE! Not complete main chain atoms for residue V 277 # IMPORTANT NOTE! Not complete main chain atoms for residue F 278 # IMPORTANT NOTE! Not complete main chain atoms for residue A 279 # IMPORTANT NOTE! Not complete main chain atoms for residue A 280 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 281 # IMPORTANT NOTE! Not complete main chain atoms for residue N 282 # IMPORTANT NOTE! Not complete main chain atoms for residue H 283 # IMPORTANT NOTE! Not complete main chain atoms for residue L 284 # IMPORTANT NOTE! Not complete main chain atoms for residue E 285 # IMPORTANT NOTE! Not complete main chain atoms for residue T 286 # IMPORTANT NOTE! Not complete main chain atoms for residue K 287 # IMPORTANT NOTE! Not complete main chain atoms for residue K 288 # IMPORTANT NOTE! Not complete main chain atoms for residue E 289 # IMPORTANT NOTE! Not complete main chain atoms for residue L 290 # IMPORTANT NOTE! Not complete main chain atoms for residue K 291 # IMPORTANT NOTE! Not complete main chain atoms for residue V 292 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 293 # IMPORTANT NOTE! Not complete main chain atoms for residue R 294 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 295 # IMPORTANT NOTE! Not complete main chain atoms for residue F 296 # IMPORTANT NOTE! Not complete main chain atoms for residue G 297 # IMPORTANT NOTE! Not complete main chain atoms for residue H 298 # IMPORTANT NOTE! Not complete main chain atoms for residue E 299 # IMPORTANT NOTE! Not complete main chain atoms for residue Y 300 # IMPORTANT NOTE! Not complete main chain atoms for residue I 301 # IMPORTANT NOTE! Not complete main chain atoms for residue P 302 # IMPORTANT NOTE! Not complete main chain atoms for residue A 303 # IMPORTANT NOTE! Not complete main chain atoms for residue F 304 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 305 # IMPORTANT NOTE! Not complete main chain atoms for residue T 306 # IMPORTANT NOTE! Not complete main chain atoms for residue E 307 # IMPORTANT NOTE! Not complete main chain atoms for residue K 308 # IMPORTANT NOTE! Not complete main chain atoms for residue L 309 # IMPORTANT NOTE! Not complete main chain atoms for residue A 310 # IMPORTANT NOTE! Not complete main chain atoms for residue F 311 # IMPORTANT NOTE! Not complete main chain atoms for residue F 312 # IMPORTANT NOTE! Not complete main chain atoms for residue K 313 # IMPORTANT NOTE! Not complete main chain atoms for residue Q 314 # IMPORTANT NOTE! Not complete main chain atoms for residue H 315 # IMPORTANT NOTE! Not complete main chain atoms for residue L 316 # Checking the TS prediction MODEL 1 (DONE) # MODEL index: 1 # Target name: T0165 # Total number of residues in target: 318 # Total number of residues in model: 229 # Total number of atoms in model: 229 # Number of atoms with 1.0 occupancy: 229 # Number of fragments in model: 1 # Number of METHOD records: 1 # No errors. # Number of Warnings: 229 ################################ # # # SUBMISSION # # # ################################ # # # BEGIN # # # ################################ PFRMAT TS TARGET T0165 AUTHOR 5035-2079-5263 METHOD CAFASP MODEL 1 PARENT 1A88_A ATOM 2 CA THR 60 28.571 50.144 -3.254 1.00 1.00 ATOM 3 CA TYR 61 27.147 49.017 0.095 1.00 1.00 ATOM 4 CA LYS 62 24.672 46.202 0.570 1.00 1.00 ATOM 5 CA SER 63 21.727 46.951 2.868 1.00 1.00 ATOM 6 CA PHE 64 19.914 44.475 5.151 1.00 1.00 ATOM 7 CA GLY 65 17.369 43.488 2.491 1.00 1.00 ATOM 8 CA ASN 66 20.172 42.928 -0.091 1.00 1.00 ATOM 9 CA ALA 67 19.710 46.283 -1.920 1.00 1.00 ATOM 10 CA ARG 68 22.961 47.660 -3.391 1.00 1.00 ATOM 11 CA ILE 69 23.473 51.404 -2.847 1.00 1.00 ATOM 12 CA THR 70 25.910 53.287 -5.056 1.00 1.00 ATOM 13 CA GLY 71 28.049 56.000 -3.392 1.00 1.00 ATOM 14 CA TRP 72 30.973 58.308 -4.186 1.00 1.00 ATOM 15 CA TYR 73 33.772 58.981 -1.642 1.00 1.00 ATOM 16 CA ALA 74 36.325 61.577 -2.730 1.00 1.00 ATOM 17 CA VAL 75 39.037 63.578 -0.895 1.00 1.00 ATOM 18 CA PRO 76 41.467 62.747 1.912 1.00 1.00 ATOM 19 CA ASP 77 40.778 59.511 3.765 1.00 1.00 ATOM 20 CA LYS 78 41.387 61.357 7.068 1.00 1.00 ATOM 21 CA GLU 79 39.492 64.571 6.194 1.00 1.00 ATOM 22 CA GLY 80 36.318 65.546 8.044 1.00 1.00 ATOM 23 CA PRO 81 33.458 63.817 6.200 1.00 1.00 ATOM 24 CA ILE 85 30.666 65.851 4.685 1.00 1.00 ATOM 25 CA VAL 86 27.855 63.658 3.382 1.00 1.00 ATOM 26 CA LYS 87 25.329 64.934 0.801 1.00 1.00 ATOM 27 CA TYR 88 21.741 63.695 0.513 1.00 1.00 ATOM 28 CA HIS 89 20.054 64.500 -2.869 1.00 1.00 ATOM 29 CA GLY 90 16.399 65.383 -3.410 1.00 1.00 ATOM 30 CA TYR 91 13.667 63.723 -5.426 1.00 1.00 ATOM 31 CA ASN 92 13.850 62.395 -8.042 1.00 1.00 ATOM 32 CA ALA 93 17.635 62.897 -8.514 1.00 1.00 ATOM 33 CA SER 94 20.965 61.240 -7.666 1.00 1.00 ATOM 34 CA TYR 95 24.351 61.885 -6.019 1.00 1.00 ATOM 35 CA ASP 96 25.338 63.652 -9.285 1.00 1.00 ATOM 36 CA GLY 97 23.147 66.659 -8.307 1.00 1.00 ATOM 37 CA GLU 98 25.984 67.664 -5.858 1.00 1.00 ATOM 38 CA ILE 99 28.799 68.073 -8.410 1.00 1.00 ATOM 39 CA HIS 100 29.347 71.774 -7.620 1.00 1.00 ATOM 40 CA GLU 101 29.310 71.388 -3.802 1.00 1.00 ATOM 41 CA MET 102 31.420 68.252 -3.999 1.00 1.00 ATOM 42 CA VAL 103 34.198 70.049 -5.851 1.00 1.00 ATOM 43 CA ASN 104 33.891 73.166 -3.644 1.00 1.00 ATOM 44 CA TRP 105 34.273 71.205 -0.385 1.00 1.00 ATOM 45 CA ALA 106 37.072 69.069 -1.820 1.00 1.00 ATOM 46 CA LEU 107 38.955 72.267 -2.609 1.00 1.00 ATOM 47 CA HIS 108 38.714 73.191 1.106 1.00 1.00 ATOM 48 CA GLY 109 40.180 69.832 2.096 1.00 1.00 ATOM 49 CA TYR 110 37.060 67.879 3.116 1.00 1.00 ATOM 50 CA ALA 111 36.229 64.239 2.430 1.00 1.00 ATOM 51 CA THR 112 33.006 64.310 0.374 1.00 1.00 ATOM 52 CA PHE 113 30.505 61.490 0.279 1.00 1.00 ATOM 53 CA GLY 114 27.216 61.184 -1.632 1.00 1.00 ATOM 54 CA MET 115 25.032 58.180 -2.300 1.00 1.00 ATOM 55 CA LEU 116 22.204 57.427 -4.751 1.00 1.00 ATOM 56 CA VAL 117 18.999 56.735 -2.828 1.00 1.00 ATOM 57 CA ARG 118 17.554 53.270 -3.462 1.00 1.00 ATOM 58 CA GLY 119 15.677 53.236 -6.739 1.00 1.00 ATOM 59 CA GLN 120 17.596 56.321 -7.908 1.00 1.00 ATOM 60 CA GLN 121 20.652 56.902 -10.083 1.00 1.00 ATOM 61 CA SER 122 22.891 53.831 -10.138 1.00 1.00 ATOM 62 CA SER 123 21.476 52.138 -7.014 1.00 1.00 ATOM 63 CA GLU 124 19.352 48.989 -7.346 1.00 1.00 ATOM 64 CA ASP 125 15.623 49.389 -8.075 1.00 1.00 ATOM 65 CA THR 126 13.975 47.093 -5.494 1.00 1.00 ATOM 66 CA SER 127 10.274 46.407 -5.248 1.00 1.00 ATOM 67 CA ILE 128 9.934 47.775 -1.740 1.00 1.00 ATOM 68 CA SER 129 11.410 50.070 0.881 1.00 1.00 ATOM 69 CA PRO 130 10.355 53.371 -0.688 1.00 1.00 ATOM 70 CA HIS 131 9.849 55.101 2.717 1.00 1.00 ATOM 71 CA GLY 132 11.751 57.382 5.138 1.00 1.00 ATOM 72 CA HIS 133 12.473 54.698 7.726 1.00 1.00 ATOM 73 CA ALA 134 14.185 52.520 5.103 1.00 1.00 ATOM 74 CA LEU 135 15.942 55.537 3.560 1.00 1.00 ATOM 75 CA GLY 136 17.414 56.440 6.971 1.00 1.00 ATOM 76 CA LEU 155 18.407 52.784 7.602 1.00 1.00 ATOM 77 CA ASP 156 20.136 52.652 4.211 1.00 1.00 ATOM 78 CA ALA 157 22.112 55.774 5.317 1.00 1.00 ATOM 79 CA VAL 158 23.102 53.964 8.557 1.00 1.00 ATOM 80 CA ARG 159 24.236 50.967 6.501 1.00 1.00 ATOM 81 CA ALA 160 26.623 53.274 4.528 1.00 1.00 ATOM 82 CA LEU 161 27.980 55.227 7.505 1.00 1.00 ATOM 83 CA GLU 162 28.658 51.958 9.340 1.00 1.00 ATOM 84 CA VAL 163 30.450 50.419 6.330 1.00 1.00 ATOM 85 CA ILE 164 32.699 53.528 6.145 1.00 1.00 ATOM 86 CA ASP 171 32.806 53.988 9.929 1.00 1.00 ATOM 87 CA GLU 172 32.208 57.705 9.781 1.00 1.00 ATOM 88 CA THR 173 32.583 59.767 12.939 1.00 1.00 ATOM 89 CA ARG 174 31.858 63.465 13.455 1.00 1.00 ATOM 90 CA ILE 175 30.297 63.763 10.001 1.00 1.00 ATOM 91 CA GLY 176 28.366 66.742 8.683 1.00 1.00 ATOM 92 CA VAL 177 25.144 65.719 6.845 1.00 1.00 ATOM 93 CA THR 178 23.709 68.114 4.203 1.00 1.00 ATOM 94 CA GLY 179 20.292 67.240 2.765 1.00 1.00 ATOM 95 CA GLY 180 18.354 69.000 0.020 1.00 1.00 ATOM 96 CA SER 181 14.618 68.802 -0.390 1.00 1.00 ATOM 97 CA GLN 182 13.509 65.168 0.216 1.00 1.00 ATOM 98 CA GLY 183 17.127 64.504 1.268 1.00 1.00 ATOM 99 CA GLY 184 16.509 66.993 4.126 1.00 1.00 ATOM 100 CA GLY 185 13.783 64.630 5.428 1.00 1.00 ATOM 101 CA LEU 186 16.136 61.641 5.177 1.00 1.00 ATOM 102 CA THR 187 18.799 63.629 7.065 1.00 1.00 ATOM 103 CA ILE 188 16.350 64.567 9.878 1.00 1.00 ATOM 104 CA ALA 189 15.300 60.914 10.427 1.00 1.00 ATOM 105 CA ALA 190 18.826 59.467 10.174 1.00 1.00 ATOM 106 CA ALA 191 20.361 62.081 12.506 1.00 1.00 ATOM 107 CA ALA 192 17.619 61.540 15.127 1.00 1.00 ATOM 108 CA LEU 193 18.403 57.793 15.229 1.00 1.00 ATOM 111 CA SER 194 26.064 58.859 19.029 1.00 1.00 ATOM 112 CA ASP 195 29.431 60.163 17.673 1.00 1.00 ATOM 113 CA ILE 196 28.576 59.431 14.025 1.00 1.00 ATOM 114 CA PRO 197 27.141 62.931 13.415 1.00 1.00 ATOM 115 CA LYS 198 28.538 66.316 14.352 1.00 1.00 ATOM 116 CA ALA 199 26.223 68.787 12.568 1.00 1.00 ATOM 117 CA ALA 200 23.399 68.717 10.002 1.00 1.00 ATOM 118 CA VAL 201 22.140 71.108 7.298 1.00 1.00 ATOM 119 CA ALA 202 18.560 71.101 5.910 1.00 1.00 ATOM 120 CA ASP 203 18.399 73.007 2.601 1.00 1.00 ATOM 121 CA TYR 204 14.986 73.663 1.007 1.00 1.00 ATOM 122 CA PRO 205 13.901 70.673 3.083 1.00 1.00 ATOM 123 CA TYR 206 10.527 69.027 3.512 1.00 1.00 ATOM 124 CA LEU 207 10.182 69.032 7.342 1.00 1.00 ATOM 125 CA SER 208 8.219 69.310 9.380 1.00 1.00 ATOM 126 CA ASN 209 5.353 68.009 7.227 1.00 1.00 ATOM 127 CA GLU 211 4.112 69.139 3.815 1.00 1.00 ATOM 128 CA ARG 212 0.589 67.847 3.367 1.00 1.00 ATOM 129 CA ALA 213 -2.528 69.410 4.811 1.00 1.00 ATOM 130 CA ILE 214 -3.854 67.425 7.778 1.00 1.00 ATOM 131 CA ASP 215 -5.550 67.875 11.165 1.00 1.00 ATOM 132 CA VAL 216 -2.186 68.888 12.615 1.00 1.00 ATOM 133 CA ALA 217 -1.122 71.040 9.629 1.00 1.00 ATOM 134 CA LEU 218 -3.792 73.363 8.147 1.00 1.00 ATOM 135 CA GLU 219 -1.376 75.621 6.231 1.00 1.00 ATOM 136 CA GLN 220 0.011 72.587 4.340 1.00 1.00 ATOM 137 CA PRO 221 -0.546 71.797 0.644 1.00 1.00 ATOM 138 CA TYR 222 -3.675 69.844 -0.304 1.00 1.00 ATOM 139 CA LEU 223 -3.265 66.176 -1.216 1.00 1.00 ATOM 140 CA GLU 224 -4.527 66.920 -4.732 1.00 1.00 ATOM 141 CA ILE 225 -1.286 68.790 -5.493 1.00 1.00 ATOM 142 CA ASN 226 0.516 65.463 -4.882 1.00 1.00 ATOM 143 CA SER 227 -2.112 63.389 -6.697 1.00 1.00 ATOM 144 CA PHE 228 -1.374 65.485 -9.837 1.00 1.00 ATOM 145 CA PHE 229 2.390 64.743 -9.629 1.00 1.00 ATOM 146 CA ARG 230 1.594 61.053 -9.210 1.00 1.00 ATOM 147 CA ARG 231 -0.742 61.068 -12.224 1.00 1.00 ATOM 148 CA ASN 232 1.608 63.038 -14.492 1.00 1.00 ATOM 149 CA GLY 233 4.554 60.815 -13.474 1.00 1.00 ATOM 150 CA SER 234 2.615 57.620 -14.189 1.00 1.00 ATOM 151 CA PRO 235 1.186 58.908 -17.525 1.00 1.00 ATOM 152 CA GLU 236 4.439 60.148 -19.182 1.00 1.00 ATOM 153 CA THR 237 7.398 60.294 -16.812 1.00 1.00 ATOM 154 CA GLU 238 9.789 61.415 -19.576 1.00 1.00 ATOM 155 CA VAL 239 7.712 64.565 -20.311 1.00 1.00 ATOM 156 CA GLN 240 6.839 65.277 -16.659 1.00 1.00 ATOM 198 CA ALA 241 8.530 58.598 -2.852 1.00 1.00 ATOM 199 CA MET 242 6.000 61.354 -3.458 1.00 1.00 ATOM 200 CA LYS 243 3.911 60.065 -0.551 1.00 1.00 ATOM 201 CA THR 244 7.069 59.520 1.538 1.00 1.00 ATOM 202 CA LEU 245 8.342 63.085 1.191 1.00 1.00 ATOM 203 CA SER 246 4.977 64.881 1.393 1.00 1.00 ATOM 204 CA TYR 247 3.010 62.913 4.038 1.00 1.00 ATOM 205 CA PHE 248 5.714 61.810 6.487 1.00 1.00 ATOM 206 CA ASP 249 5.619 63.949 9.636 1.00 1.00 ATOM 207 CA ILE 250 9.167 64.664 10.842 1.00 1.00 ATOM 208 CA MET 251 8.056 66.672 13.920 1.00 1.00 ATOM 209 CA ASN 252 9.232 63.981 16.348 1.00 1.00 ATOM 210 CA LEU 253 12.577 63.470 14.618 1.00 1.00 ATOM 211 CA ALA 254 13.282 67.186 14.785 1.00 1.00 ATOM 212 CA ASP 255 12.613 67.267 18.539 1.00 1.00 ATOM 213 CA ARG 256 15.149 64.474 18.985 1.00 1.00 ATOM 214 CA VAL 257 18.081 66.162 17.254 1.00 1.00 ATOM 215 CA LYS 258 20.649 67.692 19.592 1.00 1.00 ATOM 216 CA VAL 259 23.567 68.627 17.293 1.00 1.00 ATOM 217 CA PRO 260 23.672 72.070 15.656 1.00 1.00 ATOM 218 CA VAL 261 21.468 72.332 12.571 1.00 1.00 ATOM 219 CA LEU 262 21.580 74.953 9.843 1.00 1.00 ATOM 220 CA MET 263 18.137 75.427 8.176 1.00 1.00 ATOM 221 CA SER 264 18.462 77.213 4.779 1.00 1.00 ATOM 222 CA ILE 265 15.587 78.015 2.391 1.00 1.00 ATOM 223 CA GLY 266 14.750 80.290 -0.538 1.00 1.00 ATOM 224 CA LEU 267 11.712 82.541 -0.038 1.00 1.00 ATOM 225 CA ILE 268 10.481 82.007 -3.621 1.00 1.00 ATOM 226 CA ASP 269 10.518 78.186 -3.310 1.00 1.00 ATOM 227 CA LYS 270 7.785 76.850 -5.564 1.00 1.00 ATOM 228 CA VAL 271 8.167 73.180 -4.567 1.00 1.00 ATOM 229 CA THR 272 8.526 73.211 -0.766 1.00 1.00 ATOM 230 CA PRO 273 6.756 76.361 0.405 1.00 1.00 ATOM 231 CA PRO 274 8.970 78.480 2.591 1.00 1.00 ATOM 232 CA SER 275 6.561 79.498 5.381 1.00 1.00 ATOM 233 CA THR 276 5.364 75.918 6.194 1.00 1.00 ATOM 234 CA VAL 277 8.892 74.518 6.269 1.00 1.00 ATOM 235 CA PHE 278 11.981 76.454 7.358 1.00 1.00 ATOM 236 CA ALA 279 10.774 78.725 10.197 1.00 1.00 ATOM 237 CA ALA 280 8.752 75.776 11.616 1.00 1.00 ATOM 238 CA TYR 281 11.696 73.423 11.495 1.00 1.00 ATOM 239 CA ASN 282 13.920 75.973 13.201 1.00 1.00 ATOM 240 CA HIS 283 11.423 76.478 16.055 1.00 1.00 ATOM 241 CA LEU 284 11.293 72.736 16.794 1.00 1.00 ATOM 242 CA GLU 285 15.072 72.115 16.741 1.00 1.00 ATOM 243 CA THR 286 17.012 72.689 19.958 1.00 1.00 ATOM 244 CA LYS 287 20.100 74.236 18.336 1.00 1.00 ATOM 245 CA LYS 288 19.108 75.601 14.914 1.00 1.00 ATOM 246 CA GLU 289 20.350 78.548 12.815 1.00 1.00 ATOM 247 CA LEU 290 17.856 79.853 10.218 1.00 1.00 ATOM 248 CA LYS 291 19.107 81.324 6.944 1.00 1.00 ATOM 249 CA VAL 292 16.586 82.837 4.546 1.00 1.00 ATOM 250 CA TYR 293 17.531 83.687 0.935 1.00 1.00 ATOM 251 CA ARG 294 15.334 86.351 -0.583 1.00 1.00 ATOM 252 CA TYR 295 13.797 85.384 -3.929 1.00 1.00 ATOM 253 CA PHE 296 15.782 82.129 -4.429 1.00 1.00 ATOM 254 CA GLY 297 14.214 78.972 -5.827 1.00 1.00 ATOM 255 CA HIS 298 13.911 75.361 -4.770 1.00 1.00 ATOM 256 CA GLU 299 17.052 74.301 -6.642 1.00 1.00 ATOM 257 CA TYR 300 19.094 77.264 -5.378 1.00 1.00 ATOM 258 CA ILE 301 22.186 75.150 -4.629 1.00 1.00 ATOM 259 CA PRO 302 22.566 74.797 -8.418 1.00 1.00 ATOM 260 CA ALA 303 21.375 78.240 -9.592 1.00 1.00 ATOM 261 CA PHE 304 23.126 80.290 -6.900 1.00 1.00 ATOM 262 CA GLN 305 26.010 78.176 -5.529 1.00 1.00 ATOM 263 CA THR 306 28.260 81.269 -5.183 1.00 1.00 ATOM 264 CA GLU 307 25.798 82.618 -2.556 1.00 1.00 ATOM 265 CA LYS 308 25.102 79.334 -0.718 1.00 1.00 ATOM 266 CA LEU 309 28.483 77.567 -0.680 1.00 1.00 ATOM 267 CA ALA 310 30.301 80.112 1.521 1.00 1.00 ATOM 268 CA PHE 311 27.429 79.945 4.080 1.00 1.00 ATOM 269 CA PHE 312 27.545 76.143 4.099 1.00 1.00 ATOM 270 CA LYS 313 31.321 76.362 4.554 1.00 1.00 ATOM 271 CA GLN 314 31.078 78.853 7.444 1.00 1.00 ATOM 272 CA HIS 315 28.690 76.486 9.230 1.00 1.00 ATOM 273 CA LEU 316 30.925 73.452 8.729 1.00 1.00 TER END ################################ # # # END # # # ################################